[Wien] Error information during installation of WIEN2k_16.1 on CentOs7
Fecher, Gerhard
fecher at uni-mainz.de
Thu Jul 6 10:53:36 CEST 2017
there is nothing wrong
do not mix up compilation errors (there is none) from ifort, cc, or linking with messages from make.
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von 刘 洋 [ly.esl at hotmail.com]
Gesendet: Donnerstag, 6. Juli 2017 06:35
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Error information during installation of WIEN2k_16.1 on CentOs7
Dear Everyone,
During installing WIEN2k_16.1, I saw a few following errors. However, at last, there is no error information had been shown. I am not sure it is OK or not.
During compiling---------------------
SRC_BerryPI ...
make: *** No rule to make target `clean'. Stop.
make: *** No targets specified and no makefile found. Stop.
SRC_clmcopy ...
make: Circular modules.o <- modules.o dependency dropped.
make: Circular reallocate.o <- modules.o dependency dropped.
make: Circular reallocate.o <- reallocate.o dependency dropped.
make[1]: Leaving directory '/home/liuyang/wien2k/SRC_dstart'
make: *** No rule to make target `complex'. Stop.
SRC_Globals …
make: *** No rule to make target 'clean'. Stop.
make: *** No targets specified and no makefile found.
make: *** No rule to make target 'clean'. Stop.
SRC_lapw0 ...
make[1]: pwxad4.o <- pwxad4.o dependency dropped.
make[1]: Leaving directory '/home/liuyang/wien2k/SRC_lapw0'
if [ -f /include/xc_funcs.h ]; then cp /include/xc_funcs.h .; fi
make: *** No rule to make target `complex'. Stop.
SRC_lapw1 …
W2kinit.o <- W2kinit.o dependency dropped.
SRC_lapw5 …
make: Circular modules.o <- modules.o dependency dropped.
make: Circular reallocate.o <- modules.o dependency dropped.
SRC_lapwso …
make[1]: Leaving directory '/home/liuyang/wien2k/SRC_lapwso
make: *** No rule to make target `complex'. Stop.
SRC_lcore …
make: *** No rule to make target `complex'. Stop.
SRC_lib …
make: *** No rule to make target `clean'. Stop.
make: *** No targets specified and no makefile found. Stop.
SRC_mini …
make: atomgrid.o <- atomgrid.o dependency dropped.
make: mxpmgrid.o <- atomgrid.o dependency dropped.
make: mxpmgrid.o <- mxpmgrid.o dependency dropped.
There are also some same problems in other sub-directories SRC_***
------------
Here is my compiler options
Linux (Intel ifort compiler (12.0 or later)+mkl (+intelmpi))
f90 compiler: ifort C compiler: icc
Current settings:
O Compiler options: -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -I/opt/intel/compilers_and_libraries_2017.4.196/linux/mkl/include
F FFTW options: -DFFTW3 -I/opt/local/fftw/include
X LIBX options:
E ELPA options:
L Linker Flags: -Wl,--start-group /opt/intel/compilers_and_libraries_2017.4.196/linux/mkl/lib/intel64/libmkl_intel_lp64.a /opt/intel/compilers_and_libraries_2017.4.196/linux/mkl/lib/intel64/libmkl_sequential.a /opt/intel/compilers_and_libraries_2017.4.196/linux/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread -lm -ldl
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -qopenmp -lpthread
FL FFTW_LIBS: -lfftw3_mpi -lfftw3 -L/opt/local/fftw/lib
XL LIBXC_LIBS:
EL ELPA_LIBS:
If you have A CLUSTER OF shared memory parallel computers answer next question with N
Shared Memory Architecture? (y/N):n
Do you know/need a command to bind your jobs to specific nodes ?
(like taskset -c). Enter N / your_specific_command: n
On most mpi-2 versions, it is better to start an mpijob on the original machine
and not via ssh on a remote system. If you are using mpi2 set MPI_REMOTE to 0
Set MPI_REMOTE to 0 / 1: 1
On linuxifc systems the remote shell normally is ssh,
which will be used as default.
Remote shell (default is ssh) = ssh
This is useful only for BIG cases (50 atoms and more / unit cell)
and your HARDWARE has at least 16 cores (or is a cluster with Infiniband)
You need to KNOW details about your installed MPI, ELPA, and FFTW )
(y/n) n
Waiting for the help. Thankyou.
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